摘要
In this paper we present a strategy for tuning the crystal morphology of pharmaceutical compounds by the appropriate choice of solvent via an optimization model. A three-stage approach involving a pre-design stage, a product design stage and a post-design experimental verification stage is presented. The pre-design stage addresses the tormulation of the property constraint tor crystal morphology. This involves crystallization experiments aria development of property models and constraints for morphology. In the design stage various property requirements for the solvent along with crystal morphology are considered and the product design problem is formulated as a mixed integer nonlinear programming model.The design stage provides an optimal solvent/list of candidate solvents. Similar to the pre-design stage, in the post design experimental verification stage, the morphology of the crystals （precipitated from the designed solvent） is verified through crystallization experiments followed by product characterization via scanni＇ng electron microscopy, powder X-ray diffraction imaging and Fourier transform spectra analysis.
在这篇论文我们在场为经由优化 model.A 由溶剂的适当选择调节药品的混合物的水晶形态学的策略包含一个预先设计阶段，一个产品设计阶段和一个设计以后的试验性的确认阶段的三阶段的途径被介绍。预先设计阶段为晶体形态学探讨性质限制的明确的表达。这为形态学包含结晶化实验和性质模型和限制的开发。在设计阶段，为与晶体形态学一起的溶剂的各种各样的性质要求被考虑，产品设计问题作为一个混合整数被提出非线性的编程模型。设计阶段提供候选人溶剂的最佳的溶剂 / 表。类似于预先设计阶段，在柱子设计试验性的确认舞台，晶体的形态学(从设计溶剂猛抛) 通过实验经由扫描电子显微检查法，粉末 X 射线衍射成像和 Fourier 变换由产品描述跟随了的结晶化被验证系列分析。
